2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile

C10H15FN2 — CID 176920837

IUPAC2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
SMILESCCCN1CC(F)=CC(CC#N)C1
InChIInChI=1S/C10H15FN2/c1-2-5-13-7-9(3-4-12)6-10(11)8-13/h6,9H,2-3,5,7-8H2,1H3
InChIKeyMPRCCJIGXKANPO-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.10
Rot. Bonds3

About 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile

2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile (PubChem CID 176920837) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
PubChem CID176920837
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
SMILESCCCN1CC(F)=CC(CC#N)C1
InChIInChI=1S/C10H15FN2/c1-2-5-13-7-9(3-4-12)6-10(11)8-13/h6,9H,2-3,5,7-8H2,1H3
InChIKeyMPRCCJIGXKANPO-UHFFFAOYSA-N
XLogP2.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile (CID 176920837) is 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile is CCCN1CC(F)=CC(CC#N)C1.
What is the InChIKey of 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The InChIKey is MPRCCJIGXKANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-2-5-13-7-9(3-4-12)6-10(11)8-13/h6,9H,2-3,5,7-8H2,1H3.
What are the key properties of 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile has a molecular weight of 182.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile is sourced from PubChem (CID 176920837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).